1-[1-benzyl-5-methyl-4-[(Z)-pent-3-enyl]pyrrol-3-yl]ethanone

C19H23NO — CID 142981190

IUPAC1-[1-benzyl-5-methyl-4-[(Z)-pent-3-enyl]pyrrol-3-yl]ethanone
SMILESC/C=C\CCc1c(C(C)=O)cn(Cc2ccccc2)c1C
InChIInChI=1S/C19H23NO/c1-4-5-7-12-18-15(2)20(14-19(18)16(3)21)13-17-10-8-6-9-11-17/h4-6,8-11,14H,7,12-13H2,1-3H3/b5-4-
InChIKeyUXZLUHSEBOJSRE-PLNGDYQASA-N
MW281.40 g/mol
LogP4.56
Rot. Bonds6

About 1-[1-benzyl-5-methyl-4-[(Z)-pent-3-enyl]pyrrol-3-yl]ethanone

1-[1-benzyl-5-methyl-4-[(Z)-pent-3-enyl]pyrrol-3-yl]ethanone (PubChem CID 142981190) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[1-benzyl-5-methyl-4-[(Z)-pent-3-enyl]pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-benzyl-5-methyl-4-[(Z)-pent-3-enyl]pyrrol-3-yl]ethanone
PubChem CID142981190
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-[1-benzyl-5-methyl-4-[(Z)-pent-3-enyl]pyrrol-3-yl]ethanone
SMILESC/C=C\CCc1c(C(C)=O)cn(Cc2ccccc2)c1C
InChIInChI=1S/C19H23NO/c1-4-5-7-12-18-15(2)20(14-19(18)16(3)21)13-17-10-8-6-9-11-17/h4-6,8-11,14H,7,12-13H2,1-3H3/b5-4-
InChIKeyUXZLUHSEBOJSRE-PLNGDYQASA-N
XLogP4.56
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

pent-3-enylbenzene
CID 519421
5-acetyl-1-benzylpyrimidine-2,4-dione
CID 3334243
ethyl 4-acetyl-3-amino-1-benzylpyrrole-2-carboxylate
CID 71076417
1-[2-(4-acetyl-1-benzylimidazol-2-yl)-5-methylphenyl]ethanone
CID 90144829
3-acetyl-1-benzylindole-5-carboxamide
CID 22382729
3-[(E)-6-phenylhex-3-en-2-yl]pentane-2,4-dione
CID 122393603
1-phenylhex-4-en-2-one
CID 72746081
1-(1-benzyl-2,5-dimethylimidazol-4-yl)ethanone
CID 139467477
benzyl (Z)-hept-5-enoate
CID 163975250
N-[(E)-pent-3-enyl]-3-phenylpropanamide
CID 101244691
hepta-3,5-dienylbenzene
CID 54230830
[(3E,5Z)-hepta-3,5-dienyl]benzene
CID 12021636

Frequently Asked Questions

What is the IUPAC name of 1-[1-benzyl-5-methyl-4-[(Z)-pent-3-enyl]pyrrol-3-yl]ethanone?
The IUPAC name of 1-[1-benzyl-5-methyl-4-[(Z)-pent-3-enyl]pyrrol-3-yl]ethanone (CID 142981190) is 1-[1-benzyl-5-methyl-4-[(Z)-pent-3-enyl]pyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[1-benzyl-5-methyl-4-[(Z)-pent-3-enyl]pyrrol-3-yl]ethanone?
The canonical SMILES for 1-[1-benzyl-5-methyl-4-[(Z)-pent-3-enyl]pyrrol-3-yl]ethanone is C/C=C\CCc1c(C(C)=O)cn(Cc2ccccc2)c1C.
What is the InChIKey of 1-[1-benzyl-5-methyl-4-[(Z)-pent-3-enyl]pyrrol-3-yl]ethanone?
The InChIKey is UXZLUHSEBOJSRE-PLNGDYQASA-N. The full InChI is InChI=1S/C19H23NO/c1-4-5-7-12-18-15(2)20(14-19(18)16(3)21)13-17-10-8-6-9-11-17/h4-6,8-11,14H,7,12-13H2,1-3H3/b5-4-.
What are the key properties of 1-[1-benzyl-5-methyl-4-[(Z)-pent-3-enyl]pyrrol-3-yl]ethanone?
1-[1-benzyl-5-methyl-4-[(Z)-pent-3-enyl]pyrrol-3-yl]ethanone has a molecular weight of 281.40 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-benzyl-5-methyl-4-[(Z)-pent-3-enyl]pyrrol-3-yl]ethanone is sourced from PubChem (CID 142981190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).